SCHEMBL25908947

SCHEMBL25908947

CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)Oc3ccsc3-c3sc(Br)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.33
LIPG Q9Y5X9 6/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTR2A P28223 2/20 0.33
CNR2 P34972 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CNR1 P21554 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2J2 P51589 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33
ESR1 P03372 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26314362 0.78 TRPA1 (0.31) SLC6A2SLC6A4HTR2ACNR2TRPA1
SCHEMBL11924935 0.78
SCHEMBL25909406 0.78
SCHEMBL11924903 0.78
SCHEMBL11924931 0.78
SCHEMBL25908949 0.77 LPL (0.32) LPLLIPGSLC6A2SLC6A4HTR2A
SCHEMBL25748510 0.77 TNNC1 (0.36) LPLLIPGSLC6A2SLC6A4HTR2A
SCHEMBL25614161 0.74 SLC6A2 (0.38) LPLLIPGSLC6A2SLC6A4HTR2A
SCHEMBL27389978 0.73 CNR2 (0.40) SLC6A2SLC6A4HTR2ACNR2TRPA1
SCHEMBL21196881 0.72 ESR1 (0.36) LPLLIPGSLC6A2SLC6A4HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301185-A1 COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
WO-2023139992-A1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION DEVICE USING SAID INK COMPOSITION 住友化学株式会社 2023-07-27 WO disclosed